5-oxo-N-(4-phenylmethoxyphenyl)-1,4-dihydro-1,2,4-triazole-3-carboxamide

C16H14N4O3 — CID 136832138

IUPAC5-oxo-N-(4-phenylmethoxyphenyl)-1,4-dihydro-1,2,4-triazole-3-carboxamide
SMILESO=C(Nc1ccc(OCc2ccccc2)cc1)c1n[nH]c(=O)[nH]1
InChIInChI=1S/C16H14N4O3/c21-15(14-18-16(22)20-19-14)17-12-6-8-13(9-7-12)23-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,17,21)(H2,18,19,20,22)
InChIKeyGSDZUJTUAVLTTF-UHFFFAOYSA-N
MW310.31 g/mol
LogP1.93
Rot. Bonds5

About 5-oxo-N-(4-phenylmethoxyphenyl)-1,4-dihydro-1,2,4-triazole-3-carboxamide

5-oxo-N-(4-phenylmethoxyphenyl)-1,4-dihydro-1,2,4-triazole-3-carboxamide (PubChem CID 136832138) has the molecular formula C16H14N4O3 and a molecular weight of 310.31 g/mol. Its IUPAC name is 5-oxo-N-(4-phenylmethoxyphenyl)-1,4-dihydro-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-oxo-N-(4-phenylmethoxyphenyl)-1,4-dihydro-1,2,4-triazole-3-carboxamide
PubChem CID136832138
Molecular FormulaC16H14N4O3
Molecular Weight310.31 g/mol
Exact Mass310.11
IUPAC Name5-oxo-N-(4-phenylmethoxyphenyl)-1,4-dihydro-1,2,4-triazole-3-carboxamide
SMILESO=C(Nc1ccc(OCc2ccccc2)cc1)c1n[nH]c(=O)[nH]1
InChIInChI=1S/C16H14N4O3/c21-15(14-18-16(22)20-19-14)17-12-6-8-13(9-7-12)23-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,17,21)(H2,18,19,20,22)
InChIKeyGSDZUJTUAVLTTF-UHFFFAOYSA-N
XLogP1.93
TPSA99.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-oxo-N-(4-phenylmethoxyphenyl)-1,2-dihydropyrazole-3-carboxamide
CID 110692063
3-(4-chlorophenyl)-N-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 45030415
3-(4-ethoxyphenyl)-N-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46856766
2-[(4-phenylmethoxyphenyl)carbamoyl]benzoate
CID 7033170
2-iodo-N-(4-phenylmethoxyphenyl)benzamide
CID 615692
N-[4-(phenoxymethyl)phenyl]benzamide
CID 141092226
4-chloro-5-nitro-N-(4-phenylmethoxyphenyl)-1H-pyrazole-3-carboxamide
CID 135521934
N-(4-phenylmethoxyphenyl)naphthalene-1-carboxamide
CID 1336313
6-phenylmethoxy-N-(4-phenylmethoxyphenyl)pyrimidine-4-carboxamide
CID 121167975
3,5-dimethoxy-4-phenylmethoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 139779676
5-methyl-7-oxo-N-(4-phenylmethoxyphenyl)-6H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide
CID 135495824
3-(3-methoxyphenyl)-N-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46856863

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-(4-phenylmethoxyphenyl)-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-oxo-N-(4-phenylmethoxyphenyl)-1,4-dihydro-1,2,4-triazole-3-carboxamide (CID 136832138) is 5-oxo-N-(4-phenylmethoxyphenyl)-1,4-dihydro-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-oxo-N-(4-phenylmethoxyphenyl)-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-oxo-N-(4-phenylmethoxyphenyl)-1,4-dihydro-1,2,4-triazole-3-carboxamide is O=C(Nc1ccc(OCc2ccccc2)cc1)c1n[nH]c(=O)[nH]1.
What is the InChIKey of 5-oxo-N-(4-phenylmethoxyphenyl)-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The InChIKey is GSDZUJTUAVLTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3/c21-15(14-18-16(22)20-19-14)17-12-6-8-13(9-7-12)23-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,17,21)(H2,18,19,20,22).
What are the key properties of 5-oxo-N-(4-phenylmethoxyphenyl)-1,4-dihydro-1,2,4-triazole-3-carboxamide?
5-oxo-N-(4-phenylmethoxyphenyl)-1,4-dihydro-1,2,4-triazole-3-carboxamide has a molecular weight of 310.31 g/mol, XLogP of 1.93, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-(4-phenylmethoxyphenyl)-1,4-dihydro-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 136832138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).